Geometry & MOs

Info

ID:	250755
PubChem CID:	103098851
Reduced:	Br2O3N4H6C10 (1)
Stoich.:	A2B3C4D6E10 (1)
Weight, g/mol:	249.97015
ΔH_f, kcal/mol:	54.99
Dipole, Da:	7.0
IP(EA), eV:	-10.21(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations